8QHI

NMR solution structure of the golden kiwi fruit allergen Act c 8.0101

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Agilent	Direct Drive		500

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	1	1	3D 1H-15N TOCSY
11	1	1	3D 1H-15N NOESY
12	1	2	3D 1H-13C NOESY
13	1	2	3D 1H-13C NOESY aromatic
2	1	2	2D 1H-13C HSQC
3	1	2	2D 1H-13C HSQC aromatic
4	1	2	3D HNCO
5	1	2	3D HN(CA)CO
6	1	2	3D HNCACB
7	1	2	3D CBCA(CO)NH
8	1	2	3D HCCH-TOCSY
9	1	2	3D (H)CC(CO)NH-TOCSY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6.9	1	298

Conformers

Conformers Calculated Total Number	40
Conformers Submitted Total Number	20